Information card for entry 7204627

Structure parameters

• Formula: C79 H75 Cl19 Fe5 N18 O37
• Calculated formula: C79 H48 Cl19 Fe5 N18 O37
• Title of publication: Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
• Authors of publication: Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 40
• Pages of publication: 231
• a: 32.323 ± 0.003 Å
• b: 17.0606 ± 0.0014 Å
• c: 20.7616 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11449 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1567
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No